(5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane

C12H27BrOSi — CID 18334755

IUPAC(5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(CCCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27BrOSi/c1-11(2,3)15(6,7)14-12(4,5)9-8-10-13/h8-10H2,1-7H3
InChIKeyKSQAZJRLBNGMBD-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.96
Rot. Bonds5

About (5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane

(5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 18334755) has the molecular formula C12H27BrOSi and a molecular weight of 295.34 g/mol. Its IUPAC name is (5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane
PubChem CID18334755
Molecular FormulaC12H27BrOSi
Molecular Weight295.34 g/mol
Exact Mass294.10
IUPAC Name(5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(CCCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27BrOSi/c1-11(2,3)15(6,7)14-12(4,5)9-8-10-13/h8-10H2,1-7H3
InChIKeyKSQAZJRLBNGMBD-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane (CID 18334755) is (5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane is CC(C)(CCCBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is KSQAZJRLBNGMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BrOSi/c1-11(2,3)15(6,7)14-12(4,5)9-8-10-13/h8-10H2,1-7H3.
What are the key properties of (5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane?
(5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 295.34 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylpentan-2-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 18334755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).